Sample Originator: Paul K. Bakera.
Data Collection: Simon J. Colesb and Michael B. Hursthouseb
Structure Determination: Simon J. Colesb.
University of Wales, Bangora
University of Southamptonb
C21H24I2OS3W
InChI=1/C14H13.C5H12S2.CH3O.CH4S.2HI.W/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14;1-3-7-5-4-6-2;2*1-2;;;/h1-11H,12H2;3-5H2,1-2H3;2H,1H2;2H,1H3;2*1H;
| Identification Number: | 10.5258/ecrystals/1199 |
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| Controlled Keywords: | tungsten compounds |
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| Date Created: | 08 August 1994 |
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| Deposited On: | 16 Feb 2010 13:26 |
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| Deposited By: | Mr Steve Lamond |
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Depositor Comments
The electronic files for this structure were recovered from floppy diskette and unfortunately no metadata is available.
Data collection parameters
| Chemical formula | C21 H24 I2 O S3 W |
| Crystal morphology | |
| Crystal system | monoclinic |
| Space group symbol | P2(1)/c |
| Cell length a | 8.4576(19) |
| Cell length b | 13.494(12) |
| Cell length c | 22.03(2) |
| Cell angle alpha | 90.00 |
| Cell angle beta | 99.48(8) |
| Cell angle gamma | 90.00 |
| Data collection temperature | 120(2) |
Refinement results
| Solution figure of merit | |
| R Factor (Obs) | 0.0347 |
| R Factor (All) | 0.0599 |
| Weighted R Factor (Obs) | 0.0692 |
| Weighted R Factor (All) | 0.0731 |
Citation: Baker, Paul K. and Coles, Simon J. and Hursthouse, Michael B. (1994) University of Southampton, Crystal Structure Report Archive. (doi:10.5258/ecrystals/1199)
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